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Solute segregation in materials with grain boundaries (GBs) has emerged as a popular method to thermodynamically stabilize nanocrystalline structures. However, the impact of varied GB crystallographic character on solute segregation has…

Materials Science · Physics 2025-03-10 Lydia Harris Serafin , Ethan R. Cluff , Gus L. W. Hart , Eric R. Homer

Solute segregation at grain boundaries (GBs) of polycrystals strongly impacts the mechanical properties of metals including strength, fracture, embrittlement, and corrosion. However, the complexity of GB structures and the large chemical…

Materials Science · Physics 2024-12-24 Hao Wu , Xin Li , Wang Gao , Qing Jiang

Grain boundary (GB) energy is a fundamental property that affects the form of grain boundary and plays an important role to unveil the behavior of polycrystalline materials. With a better understanding of grain boundary energy distribution…

Computational Physics · Physics 2020-02-04 Haoyu Wang , Srikanth Patala , Brian J. Reich

Grain-boundary-limited charge transport remains a key bottleneck in polycrystalline thermoelectric materials, where reduced carrier mobility degrades electrical conductivity and suppresses the power factor. Here we present a semi-empirical…

A formulation is presented to efficiently model ionic conduction inside, i.e. across and along, grain boundaries. Efficiency and accuracy is achieved by reducing it to a two-dimensional manifold while guaranteeing the conservation of mass…

Chemical Physics · Physics 2024-01-15 Stephan Sinzig , Christoph P. Schmidt , Wolfgang A. Wall

We have investigated single grain boundaries (GBs) isolated in coated conductors produced by Metal-Organic Deposition (MOD). When a magnetic field is swept in the film plane, an angle-dependent crossover from boundary to grain limited…

Grain boundaries in ultrafine grained (UFG) materials processed by severe plastic deformation (SPD) are often called "non-equilibrium" grain boundaries. Such boundaries are characterized by excess grain boundary energy, presence of long…

Materials Science · Physics 2012-03-30 Xavier Sauvage , Gerhard Wilde , Sergiy Divinski , Zenji Horita , Ruslan Valiev

The biggest challenge for the commercialization of layered structured nickel rich lithium transition metal oxide cathode is the capacity and voltage fading. Resolving this problem over the years follows an incremental progress. In this…

Materials Science · Physics 2017-10-18 Pengfei Yan , Jianming Zheng , Jian Liu , Biqiong Wang , Xueliang Sun , Chongmin Wang , Ji-Guang Zhang

We describe an optical scattering study of grain boundary premelting in water ice. Ubiquitous long ranged attractive polarization forces act to suppress grain boundary melting whereas repulsive forces originating in screened Coulomb…

Materials Science · Physics 2013-05-23 E. S. Thomson , Hendrik Hansen-Goos , L. A. Wilen , J. S. Wettlaufer

The grain boundary (GB) microstructure influences and is influenced by the development of residual stresses during synthesis of polycrystalline thin films. Recent studies have shown that the frustration between the preferred growth…

Materials Science · Physics 2022-12-14 Mengyuan Wang , Ruilin Yan , Xiao Han , Hailong Wang , Moneesh Upmanyu

The present study demonstrates the effectiveness of incorporating oxygen atoms into the Sb2Te3 thin film, leading to an improved power factor and reduction in thermal conductivity. Based on the experimental evidence, it can be inferred that…

Engineering structure of grain boundaries (GBs) by solute segregation is a promising strategy to tailor the properties of polycrystalline materials. Theoretically it has been suggested that solute segregation can trigger phase transitions…

Materials Science · Physics 2025-01-28 Vivek Devulapalli , Enze Chen , Tobias Brink , Timofey Frolov , Christian H. Liebscher

We report on atomic-scale analyses of oxygen distribution and segregation at grain boundaries (GBs) of Nb and Ta-encapsulated Nb (Ta/Nb) thin films for superconducting qubits using atom-probe tomography (APT) and transmission electron…

Grain boundaries (GBs) can be treated as two-dimensional (2-D) interfacial phases (also called 'complexions') that can undergo interfacial phase-like transitions. As bulk phase diagrams and calculation of phase diagram (CALPHAD) methods are…

Materials Science · Physics 2022-09-05 Jian Luo

Grain boundaries play a critical role in applications of superconducting Nb$_3$Sn: in dc applications, grain boundaries preserve the material's inherently high critical current density by pinning flux, while in ac applications grain…

Materials Science · Physics 2020-11-12 Michelle M. Kelley , Nathan S. Sitaraman , Tomás A. Arias

Grain boundaries (GBs) can critically influence the microstructural evolution and various materials properties. However, a fundamental understanding of GBs in high-entropy alloys (HEAs) is lacking because of the complex couplings of the…

Materials Science · Physics 2021-04-13 Chongze Hu , Jian Luo

Recent work identified a growth barrier for dust coagulation that originates in the electric repulsion between colliding particles. Depending on its charge state, dust material may have the potential to control key processes towards planet…

Earth and Planetary Astrophysics · Physics 2015-06-03 Martin Ilgner

Grain boundaries (GBs) trigger structure-specific chemical segregation of solute atoms. According to the three-dimensional (3D) topology of grains, GBs - although defined as planar defects - cannot be free of curvature. This implies…

We have produced solution-processed thin films of 6,13-bis(triisopropyl-silylethynyl) pentacene with grain sizes from a few micrometers up to millimeter scale by lateral crystallization from a rectangular stylus. Grains are oriented along…

Materials Science · Physics 2015-06-04 Songtao Wo , Randall L. Headrick , John E. Anthony

Grain boundaries (GBs) in complex oxides play critical roles in governing their functional properties, which are intrinsically linked to their three-dimensional (3D) atomic configurations and local chemical environments that can deviate…